2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol

C17H19NO2 — CID 3881447

IUPAC2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol
SMILESCCOc1ccc(/C=N/CC(O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-20-16-10-8-14(9-11-16)12-18-13-17(19)15-6-4-3-5-7-15/h3-12,17,19H,2,13H2,1H3/b18-12+
InChIKeyZXVQWFPLZLWDBX-LDADJPATSA-N
MW269.34 g/mol
LogP3.24
Rot. Bonds6

About 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol

2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol (PubChem CID 3881447) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol
PubChem CID3881447
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol
SMILESCCOc1ccc(/C=N/CC(O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-20-16-10-8-14(9-11-16)12-18-13-17(19)15-6-4-3-5-7-15/h3-12,17,19H,2,13H2,1H3/b18-12+
InChIKeyZXVQWFPLZLWDBX-LDADJPATSA-N
XLogP3.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol?
The IUPAC name of 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol (CID 3881447) is 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol is CCOc1ccc(/C=N/CC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol?
The InChIKey is ZXVQWFPLZLWDBX-LDADJPATSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-16-10-8-14(9-11-16)12-18-13-17(19)15-6-4-3-5-7-15/h3-12,17,19H,2,13H2,1H3/b18-12+.
What are the key properties of 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol?
2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol has a molecular weight of 269.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylideneamino]-1-phenylethanol is sourced from PubChem (CID 3881447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).